Geometry & MOs

Info

ID:	166227
PubChem CID:	74652528
Reduced:	O4C7H9 (1)
Stoich.:	A4B7C9 (1)
Weight, g/mol:	368.125988
ΔH_f, kcal/mol:	-132.97
Dipole, Da:	5.52
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.782785
Charge, e:	0

Chem-info

IUPAC name:

[2-methoxy-4-(3-methoxy-3-oxoprop-1-enyl)phenyl] 3-(3-methoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1(CC(C(=O)O1)C(=O)[O-])C

DOS

IR

Vibrations